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Molecule
Cyclohexanamine, N-Hydroxy-, Hydrochloride (1:1)
CAS: 25100-12-3 · C6H14ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25100-12-3
- Molecular Formula
- C6H14ClNO
- Molecular Mass
- 151.64 g/mol
Identifiers
CAS Registry Number
25100-12-3
SMILES
Cl.ONC1CCCCC1
InChI Key
SSVAHXZUFFSFER-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H
Names and Synonyms
- Cyclohexanamine, N-Hydroxy-, Hydrochloride (1:1) Systematic Name
- Cyclohexanamine, N-hydroxy-, hydrochloride (1:1) Synonym
- Hydroxylamine, N-cyclohexyl-, hydrochloride Synonym
- Cyclohexanamine, N-hydroxy-, hydrochloride Synonym
- N-Cyclohexylhydroxylamine hydrochloride Synonym
- Cyclohexylhydroxylammonium chloride Synonym
- Cyclohexylhydroxyamine hydrochloride Synonym
- N-Hydroxycyclohexanamine hydrochloride Synonym
- Cyclohexylhydroxylamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.64 g/mol | CAS Common Chemistry |
| 151.63699999999997 g/mol | RDKit | |
| 151.637 g/mol | RDKit | |
| 151.634 g/mol | chempirical lib | |
| Canonical SMILES | Cl.ONC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=SSVAHXZUFFSFER-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142 °C | CAS Common Chemistry |
| Name | Cyclohexanamine, N-hydroxy-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.7197 | RDKit |
| Molar Refractivity | 39.04320000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.076391748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 151.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14ClNO.
